[(2-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine

• ChemBase ID: 295137
• Molecular Formular: C14H13F2N
• Molecular Mass: 233.2565264
• Monoisotopic Mass: 233.10160586
• SMILES: Fc1c(CNCc2ccc(cc2)F)cccc1
• Canonical SMILES: Fc1ccc(cc1)CNCc1ccccc1F
• InChI: InChI=1S/C14H13F2N/c15-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)16/h1-8,17H,9-10H2
• InChIKey: GBBGHUWXQLFMIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl][(4-fluorophenyl)methyl]amine
• Synonyms: N-(2-Fluorobenzyl)-4-fluorobenzylamine

Database IDs

• CAS Number: 797769-56-3
• PubChem SID: 180680668
• PubChem CID: 1091738

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.94446015
• LogD (pH = 7.4): 2.6727536
• Log P: 3.5414717
• Molar Refractivity: 64.3514 cm^3
• Polarizability: 24.428396 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%